5-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)-2-methoxyphenyl propane-2-sulfonate
5-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-7722 |
| Compound Name: | 5-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 414.56 |
| Molecular Formula: | C20 H34 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CCN(C)C)Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.524 |
| logD: | 1.6352 |
| logSw: | -2.9027 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.788 |
| InChI Key: | SRBRDSFANBYTCL-UHFFFAOYSA-N |